(E)-piperidin-2-ylidenemethanol

C6H11NO — CID 141339932

IUPAC(E)-piperidin-2-ylidenemethanol
SMILESO/C=C1\CCCCN1
InChIInChI=1S/C6H11NO/c8-5-6-3-1-2-4-7-6/h5,7-8H,1-4H2/b6-5+
InChIKeyRDBOZDZPRYWYGC-AATRIKPKSA-N
MW113.16 g/mol
LogP1.16
Rot. Bonds

About (E)-piperidin-2-ylidenemethanol

(E)-piperidin-2-ylidenemethanol (PubChem CID 141339932) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (E)-piperidin-2-ylidenemethanol.

Molecular Properties

Compound Name(E)-piperidin-2-ylidenemethanol
PubChem CID141339932
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(E)-piperidin-2-ylidenemethanol
SMILESO/C=C1\CCCCN1
InChIInChI=1S/C6H11NO/c8-5-6-3-1-2-4-7-6/h5,7-8H,1-4H2/b6-5+
InChIKeyRDBOZDZPRYWYGC-AATRIKPKSA-N
XLogP1.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-piperidin-2-ylidenemethanol?
The IUPAC name of (E)-piperidin-2-ylidenemethanol (CID 141339932) is (E)-piperidin-2-ylidenemethanol.
What is the SMILES notation for (E)-piperidin-2-ylidenemethanol?
The canonical SMILES for (E)-piperidin-2-ylidenemethanol is O/C=C1\CCCCN1.
What is the InChIKey of (E)-piperidin-2-ylidenemethanol?
The InChIKey is RDBOZDZPRYWYGC-AATRIKPKSA-N. The full InChI is InChI=1S/C6H11NO/c8-5-6-3-1-2-4-7-6/h5,7-8H,1-4H2/b6-5+.
What are the key properties of (E)-piperidin-2-ylidenemethanol?
(E)-piperidin-2-ylidenemethanol has a molecular weight of 113.16 g/mol, XLogP of 1.16, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-piperidin-2-ylidenemethanol is sourced from PubChem (CID 141339932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).